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Könyv Computing the Optical Properties of Large Systems Tim Zuehlsdorff

Computing the Optical Properties of Large Systems

Szerző: Tim Zuehlsdorff
Nyelv: Angol
Kötés: Puha kötésű
Kiadó: Springer International Publishing AG
Elérhetőség: Beszállítói készleten
Küldés 5-8 napon belül
36 044 Ft
This work addresses the computation of excited-state properties of systems containing thousands of a...

Információk a könyvről

Szerző
Tim Zuehlsdorff
Nyelv
Angol
Kötés
Könyv - Puha kötésű
Kiadva
2016
oldal
188
EAN
9783319370132
ISBN
3319370138
Enbook ID
15194089
Kiadó
Springer International Publishing AG
Súly
3168
Méretek
155 x 235 x 12

Teljes leírás

This work addresses the computation of excited-state properties of systems containing thousands of atoms. To achieve this, the author combines the linear response formulation of time-dependent density functional theory (TDDFT) with linear-scaling techniques known from ground-state density-functional theory. This extends the range of TDDFT, which on its own cannot tackle many of the large and interesting systems in materials science and computational biology. The strengths of the approach developed in this work are demonstrated on a number of problems involving large-scale systems, including exciton coupling in the Fenna-Matthews-Olson complex and the investigation of low-lying excitations in doped p-terphenyl organic crystals.

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